4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine

C18H38N2 — CID 63495788

IUPAC4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN(C)C(C)CC(C)C
InChIInChI=1S/C18H38N2/c1-7-10-19-18-9-8-15(4)12-17(18)13-20(6)16(5)11-14(2)3/h14-19H,7-13H2,1-6H3
InChIKeyZJRCMFDWIYENPH-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.16
Rot. Bonds8

About 4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine

4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine (PubChem CID 63495788) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
PubChem CID63495788
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN(C)C(C)CC(C)C
InChIInChI=1S/C18H38N2/c1-7-10-19-18-9-8-15(4)12-17(18)13-20(6)16(5)11-14(2)3/h14-19H,7-13H2,1-6H3
InChIKeyZJRCMFDWIYENPH-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63493449
4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 112665039
4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-ol
CID 62610991
4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine
CID 66255630
4-methyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
CID 63403394
4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63494785
N,1-dimethyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-amine
CID 62616944
1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol
CID 62610370
2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 107401526
2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63483230
N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine
CID 62616093
4-methyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63403659

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine (CID 63495788) is 4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1CN(C)C(C)CC(C)C.
What is the InChIKey of 4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is ZJRCMFDWIYENPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-7-10-19-18-9-8-15(4)12-17(18)13-20(6)16(5)11-14(2)3/h14-19H,7-13H2,1-6H3.
What are the key properties of 4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine?
4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63495788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).